[Pw_forum] Hybrid functionals for GIPAW calculations

[Giuseppe Mattioli]

Dear Stefano (and all)
Thank you for the valuable information. Do you know if hybrid HF/DFT kernels have been also 
implemented in the case of core-->valence adsorption processes calculated by using the xspectra 
code?
Yours

Giuseppe


On Friday 18 January 2013 14:18:24 Stefano Baroni wrote:
> It has been implemented in turbotddft, though ...
> I think it is available in the svn version of that code. Others may want to
> confirm. S.
> 
> On Jan 18, 2013, at 1:41 PM, Davide Ceresoli wrote:
> > Dear Jarkko,
> > 
> >    unfortunately this is not possible. Linear response with Hartree-Fock
> > 
> > is not a piece of cake in QE.
> > 
> > Best wishes,
> > 
> >    Davide
> > 
> > On 01/18/2013 10:21 AM, Jarkko Vähäkangas wrote:
> >> Hi,
> >> 
> >> Is it possible in QE to use hybrid functionals for GIPAW calculations?
> >> If it is where can I find such pseudo potentials?
> >> 
> >> thanks, Jarkko
> > 
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> 
> ---
> Stefano Baroni -  http://stefano.baroni.me, stefanobaroni (skype)
> on leave of absence from SISSA, Trieste, presently at the Department of
> Materials, EPF Lausanne (until March 2013)
> 
> I believe in the despotism of human life and happiness against the liberty
> of money and possessions - John Steinbeck

-- 
********************************************************
- Article premier - Les hommes naissent et demeurent
libres et ègaux en droits. Les distinctions sociales
ne peuvent être fondèes que sur l'utilitè commune
- Article 2 - Le but de toute association politique
est la conservation des droits naturels et 
imprescriptibles de l'homme. Ces droits sont la libertè,
la propriètè, la sùretè et la rèsistance à l'oppression.
********************************************************

   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
   v. Salaria Km 29,300 - C.P. 10                
   I 00015 - Monterotondo Stazione (RM)          
   Tel + 39 06 90672836 - Fax +39 06 90672316    
   E-mail: <giuseppe.mattioli at ism.cnr.it>